USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 GLN : amide:sc= -0.233 K(o=-0.23,f=-1.6) USER MOD Set 1.2: A 76 GLN : amide:sc= 0 X(o=-0.23,f=-0.28) USER MOD Set 2.1: A 50 ASN : amide:sc= -0.033 K(o=-0.056,f=-2.5) USER MOD Set 2.2: A 58 GLN : amide:sc= -0.0232 X(o=-0.056,f=-0.056) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0103 USER MOD Single : A 5 SER OG : rot 11:sc= 0.935 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.044 X(o=-0.044,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.0566 X(o=0.057,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -2.41 X(o=-2.4,f=-2.9) USER MOD Single : A 62 GLN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.018) USER MOD Single : A 66 TYR OH : rot 27:sc= 0.0338 USER MOD Single : A 67 TYR OH : rot -165:sc= -2.98! USER MOD Single : A 70 LYS NZ :NH3+ -154:sc= 0.617 (180deg=0.273) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc=-0.00984 (180deg=-0.00984) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 168:sc=-0.00595 (180deg=-0.0208) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.480 15.329 -7.646 1.00 0.00 N ATOM 2 CA GLY A 1 -18.534 14.563 -8.878 1.00 0.00 C ATOM 3 C GLY A 1 -18.740 15.440 -10.097 1.00 0.00 C ATOM 4 O GLY A 1 -19.780 16.083 -10.240 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.338 14.684 -6.842 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.691 16.005 -7.692 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.373 15.848 -7.520 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.608 13.999 -8.992 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.344 13.837 -8.816 1.00 0.00 H new ATOM 8 N SER A 2 -17.745 15.468 -10.978 1.00 0.00 N ATOM 9 CA SER A 2 -17.819 16.277 -12.189 1.00 0.00 C ATOM 10 C SER A 2 -17.268 15.512 -13.389 1.00 0.00 C ATOM 11 O SER A 2 -17.970 15.295 -14.376 1.00 0.00 O ATOM 12 CB SER A 2 -17.043 17.583 -12.003 1.00 0.00 C ATOM 13 OG SER A 2 -17.229 18.448 -13.110 1.00 0.00 O ATOM 0 H SER A 2 -16.878 14.940 -10.876 1.00 0.00 H new ATOM 0 HA SER A 2 -18.867 16.508 -12.378 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.373 18.079 -11.090 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.982 17.365 -11.882 1.00 0.00 H new ATOM 0 HG SER A 2 -16.725 19.276 -12.967 1.00 0.00 H new ATOM 19 N SER A 3 -16.006 15.106 -13.294 1.00 0.00 N ATOM 20 CA SER A 3 -15.358 14.368 -14.372 1.00 0.00 C ATOM 21 C SER A 3 -15.354 12.870 -14.080 1.00 0.00 C ATOM 22 O SER A 3 -15.797 12.432 -13.019 1.00 0.00 O ATOM 23 CB SER A 3 -13.924 14.864 -14.569 1.00 0.00 C ATOM 24 OG SER A 3 -13.560 15.784 -13.555 1.00 0.00 O ATOM 0 H SER A 3 -15.412 15.275 -12.482 1.00 0.00 H new ATOM 0 HA SER A 3 -15.924 14.541 -15.288 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.238 14.017 -14.559 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.831 15.339 -15.546 1.00 0.00 H new ATOM 0 HG SER A 3 -12.639 16.085 -13.702 1.00 0.00 H new ATOM 30 N GLY A 4 -14.850 12.089 -15.030 1.00 0.00 N ATOM 31 CA GLY A 4 -14.798 10.649 -14.857 1.00 0.00 C ATOM 32 C GLY A 4 -14.659 9.911 -16.174 1.00 0.00 C ATOM 33 O GLY A 4 -15.432 8.998 -16.466 1.00 0.00 O ATOM 0 H GLY A 4 -14.477 12.428 -15.917 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.958 10.394 -14.211 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.703 10.314 -14.350 1.00 0.00 H new ATOM 37 N SER A 5 -13.674 10.308 -16.972 1.00 0.00 N ATOM 38 CA SER A 5 -13.440 9.682 -18.268 1.00 0.00 C ATOM 39 C SER A 5 -11.948 9.618 -18.580 1.00 0.00 C ATOM 40 O SER A 5 -11.291 10.647 -18.738 1.00 0.00 O ATOM 41 CB SER A 5 -14.170 10.453 -19.370 1.00 0.00 C ATOM 42 OG SER A 5 -13.530 11.689 -19.637 1.00 0.00 O ATOM 0 H SER A 5 -13.025 11.061 -16.744 1.00 0.00 H new ATOM 0 HA SER A 5 -13.829 8.664 -18.227 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.201 9.852 -20.279 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.203 10.632 -19.070 1.00 0.00 H new ATOM 0 HG SER A 5 -12.659 11.710 -19.189 1.00 0.00 H new ATOM 48 N SER A 6 -11.420 8.401 -18.666 1.00 0.00 N ATOM 49 CA SER A 6 -10.005 8.201 -18.954 1.00 0.00 C ATOM 50 C SER A 6 -9.798 6.971 -19.833 1.00 0.00 C ATOM 51 O SER A 6 -9.074 7.019 -20.827 1.00 0.00 O ATOM 52 CB SER A 6 -9.214 8.051 -17.654 1.00 0.00 C ATOM 53 OG SER A 6 -8.476 9.226 -17.367 1.00 0.00 O ATOM 0 H SER A 6 -11.951 7.539 -18.540 1.00 0.00 H new ATOM 0 HA SER A 6 -9.642 9.077 -19.492 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.897 7.837 -16.832 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.535 7.202 -17.734 1.00 0.00 H new ATOM 0 HG SER A 6 -7.981 9.105 -16.530 1.00 0.00 H new ATOM 59 N GLY A 7 -10.441 5.869 -19.459 1.00 0.00 N ATOM 60 CA GLY A 7 -10.315 4.642 -20.223 1.00 0.00 C ATOM 61 C GLY A 7 -10.965 3.459 -19.532 1.00 0.00 C ATOM 62 O GLY A 7 -10.509 3.020 -18.476 1.00 0.00 O ATOM 0 H GLY A 7 -11.047 5.804 -18.641 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.769 4.780 -21.204 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.259 4.427 -20.388 1.00 0.00 H new ATOM 66 N THR A 8 -12.036 2.943 -20.127 1.00 0.00 N ATOM 67 CA THR A 8 -12.752 1.807 -19.561 1.00 0.00 C ATOM 68 C THR A 8 -12.230 0.491 -20.126 1.00 0.00 C ATOM 69 O THR A 8 -12.093 -0.496 -19.402 1.00 0.00 O ATOM 70 CB THR A 8 -14.265 1.904 -19.832 1.00 0.00 C ATOM 71 OG1 THR A 8 -14.687 3.271 -19.771 1.00 0.00 O ATOM 72 CG2 THR A 8 -15.050 1.080 -18.823 1.00 0.00 C ATOM 0 H THR A 8 -12.427 3.294 -21.001 1.00 0.00 H new ATOM 0 HA THR A 8 -12.581 1.831 -18.485 1.00 0.00 H new ATOM 0 HB THR A 8 -14.459 1.508 -20.829 1.00 0.00 H new ATOM 0 HG1 THR A 8 -15.650 3.324 -19.946 1.00 0.00 H new ATOM 0 HG21 THR A 8 -16.116 1.164 -19.035 1.00 0.00 H new ATOM 0 HG22 THR A 8 -14.748 0.035 -18.893 1.00 0.00 H new ATOM 0 HG23 THR A 8 -14.850 1.449 -17.817 1.00 0.00 H new ATOM 80 N SER A 9 -11.938 0.483 -21.423 1.00 0.00 N ATOM 81 CA SER A 9 -11.433 -0.714 -22.086 1.00 0.00 C ATOM 82 C SER A 9 -10.172 -0.401 -22.885 1.00 0.00 C ATOM 83 O SER A 9 -10.214 -0.276 -24.108 1.00 0.00 O ATOM 84 CB SER A 9 -12.503 -1.301 -23.008 1.00 0.00 C ATOM 85 OG SER A 9 -13.240 -2.318 -22.352 1.00 0.00 O ATOM 0 H SER A 9 -12.042 1.292 -22.035 1.00 0.00 H new ATOM 0 HA SER A 9 -11.183 -1.447 -21.319 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.179 -0.511 -23.335 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.033 -1.708 -23.903 1.00 0.00 H new ATOM 0 HG SER A 9 -13.918 -2.676 -22.962 1.00 0.00 H new ATOM 91 N ALA A 10 -9.050 -0.275 -22.183 1.00 0.00 N ATOM 92 CA ALA A 10 -7.776 0.021 -22.826 1.00 0.00 C ATOM 93 C ALA A 10 -6.616 -0.602 -22.058 1.00 0.00 C ATOM 94 O ALA A 10 -6.800 -1.146 -20.968 1.00 0.00 O ATOM 95 CB ALA A 10 -7.584 1.526 -22.948 1.00 0.00 C ATOM 0 H ALA A 10 -8.998 -0.373 -21.169 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.791 -0.414 -23.825 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.629 1.733 -23.430 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.391 1.948 -23.546 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.595 1.976 -21.955 1.00 0.00 H new ATOM 101 N LEU A 11 -5.420 -0.520 -22.632 1.00 0.00 N ATOM 102 CA LEU A 11 -4.229 -1.076 -22.001 1.00 0.00 C ATOM 103 C LEU A 11 -3.484 -0.008 -21.206 1.00 0.00 C ATOM 104 O LEU A 11 -3.410 1.148 -21.620 1.00 0.00 O ATOM 105 CB LEU A 11 -3.303 -1.680 -23.058 1.00 0.00 C ATOM 106 CG LEU A 11 -2.739 -3.067 -22.743 1.00 0.00 C ATOM 107 CD1 LEU A 11 -3.696 -4.151 -23.214 1.00 0.00 C ATOM 108 CD2 LEU A 11 -1.371 -3.244 -23.385 1.00 0.00 C ATOM 0 H LEU A 11 -5.250 -0.074 -23.533 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.545 -1.860 -21.313 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.848 -1.737 -24.000 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.468 -0.997 -23.214 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.625 -3.156 -21.663 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.279 -5.131 -22.982 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.654 -4.035 -22.708 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.842 -4.065 -24.291 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.985 -4.236 -23.151 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.460 -3.135 -24.466 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.687 -2.488 -22.999 1.00 0.00 H new ATOM 120 N ALA A 12 -2.931 -0.405 -20.065 1.00 0.00 N ATOM 121 CA ALA A 12 -2.188 0.517 -19.215 1.00 0.00 C ATOM 122 C ALA A 12 -0.685 0.367 -19.425 1.00 0.00 C ATOM 123 O ALA A 12 -0.196 -0.672 -19.871 1.00 0.00 O ATOM 124 CB ALA A 12 -2.543 0.290 -17.753 1.00 0.00 C ATOM 0 H ALA A 12 -2.983 -1.359 -19.708 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.468 1.533 -19.492 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.981 0.985 -17.130 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.611 0.455 -17.608 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.292 -0.733 -17.472 1.00 0.00 H new ATOM 130 N PRO A 13 0.068 1.428 -19.098 1.00 0.00 N ATOM 131 CA PRO A 13 1.527 1.438 -19.243 1.00 0.00 C ATOM 132 C PRO A 13 2.215 0.518 -18.241 1.00 0.00 C ATOM 133 O PRO A 13 1.563 -0.095 -17.395 1.00 0.00 O ATOM 134 CB PRO A 13 1.900 2.898 -18.971 1.00 0.00 C ATOM 135 CG PRO A 13 0.796 3.418 -18.116 1.00 0.00 C ATOM 136 CD PRO A 13 -0.447 2.698 -18.561 1.00 0.00 C ATOM 0 HA PRO A 13 1.842 1.078 -20.223 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.862 2.973 -18.464 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.983 3.465 -19.898 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.998 3.232 -17.061 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.686 4.496 -18.234 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -1.135 2.534 -17.732 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -0.990 3.264 -19.318 1.00 0.00 H new ATOM 144 N VAL A 14 3.538 0.424 -18.342 1.00 0.00 N ATOM 145 CA VAL A 14 4.315 -0.421 -17.444 1.00 0.00 C ATOM 146 C VAL A 14 4.245 0.091 -16.010 1.00 0.00 C ATOM 147 O VAL A 14 3.624 1.118 -15.736 1.00 0.00 O ATOM 148 CB VAL A 14 5.791 -0.495 -17.880 1.00 0.00 C ATOM 149 CG1 VAL A 14 5.931 -1.315 -19.154 1.00 0.00 C ATOM 150 CG2 VAL A 14 6.360 0.902 -18.070 1.00 0.00 C ATOM 0 H VAL A 14 4.093 0.923 -19.037 1.00 0.00 H new ATOM 0 HA VAL A 14 3.879 -1.419 -17.492 1.00 0.00 H new ATOM 0 HB VAL A 14 6.360 -0.990 -17.094 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.980 -1.356 -19.447 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.563 -2.326 -18.978 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.350 -0.851 -19.951 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.403 0.831 -18.378 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.790 1.426 -18.837 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.295 1.452 -17.131 1.00 0.00 H new ATOM 160 N ALA A 15 4.887 -0.631 -15.097 1.00 0.00 N ATOM 161 CA ALA A 15 4.900 -0.249 -13.691 1.00 0.00 C ATOM 162 C ALA A 15 6.092 0.650 -13.378 1.00 0.00 C ATOM 163 O ALA A 15 7.226 0.343 -13.745 1.00 0.00 O ATOM 164 CB ALA A 15 4.924 -1.488 -12.808 1.00 0.00 C ATOM 0 H ALA A 15 5.405 -1.484 -15.307 1.00 0.00 H new ATOM 0 HA ALA A 15 3.990 0.314 -13.484 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.934 -1.188 -11.760 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.038 -2.092 -13.004 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.818 -2.073 -13.026 1.00 0.00 H new ATOM 170 N ALA A 16 5.827 1.760 -12.697 1.00 0.00 N ATOM 171 CA ALA A 16 6.878 2.702 -12.333 1.00 0.00 C ATOM 172 C ALA A 16 6.608 3.325 -10.968 1.00 0.00 C ATOM 173 O ALA A 16 5.466 3.641 -10.634 1.00 0.00 O ATOM 174 CB ALA A 16 7.005 3.786 -13.394 1.00 0.00 C ATOM 0 H ALA A 16 4.893 2.029 -12.386 1.00 0.00 H new ATOM 0 HA ALA A 16 7.818 2.154 -12.274 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.793 4.483 -13.110 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.252 3.330 -14.353 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.060 4.323 -13.481 1.00 0.00 H new ATOM 180 N ILE A 17 7.666 3.496 -10.182 1.00 0.00 N ATOM 181 CA ILE A 17 7.543 4.081 -8.853 1.00 0.00 C ATOM 182 C ILE A 17 8.283 5.411 -8.766 1.00 0.00 C ATOM 183 O ILE A 17 9.355 5.576 -9.351 1.00 0.00 O ATOM 184 CB ILE A 17 8.085 3.133 -7.768 1.00 0.00 C ATOM 185 CG1 ILE A 17 7.341 1.797 -7.808 1.00 0.00 C ATOM 186 CG2 ILE A 17 7.960 3.773 -6.393 1.00 0.00 C ATOM 187 CD1 ILE A 17 7.830 0.801 -6.780 1.00 0.00 C ATOM 0 H ILE A 17 8.618 3.238 -10.443 1.00 0.00 H new ATOM 0 HA ILE A 17 6.480 4.248 -8.680 1.00 0.00 H new ATOM 0 HB ILE A 17 9.140 2.946 -7.966 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.278 1.978 -7.650 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.446 1.362 -8.802 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.348 3.090 -5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.531 4.701 -6.370 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.912 3.987 -6.185 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.257 -0.122 -6.867 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.886 0.591 -6.951 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.700 1.216 -5.781 1.00 0.00 H new ATOM 199 N ILE A 18 7.707 6.357 -8.032 1.00 0.00 N ATOM 200 CA ILE A 18 8.314 7.672 -7.867 1.00 0.00 C ATOM 201 C ILE A 18 8.822 7.867 -6.443 1.00 0.00 C ATOM 202 O ILE A 18 8.127 7.588 -5.465 1.00 0.00 O ATOM 203 CB ILE A 18 7.319 8.798 -8.204 1.00 0.00 C ATOM 204 CG1 ILE A 18 6.777 8.621 -9.624 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.986 10.157 -8.052 1.00 0.00 C ATOM 206 CD1 ILE A 18 5.770 9.677 -10.023 1.00 0.00 C ATOM 0 H ILE A 18 6.820 6.237 -7.542 1.00 0.00 H new ATOM 0 HA ILE A 18 9.154 7.722 -8.560 1.00 0.00 H new ATOM 0 HB ILE A 18 6.483 8.745 -7.507 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.610 8.641 -10.327 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.313 7.638 -9.707 1.00 0.00 H new ATOM 0 HG21 ILE A 18 7.270 10.943 -8.294 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.328 10.281 -7.025 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.838 10.222 -8.729 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.429 9.488 -11.041 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.919 9.643 -9.343 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.236 10.661 -9.973 1.00 0.00 H new ATOM 218 N PRO A 19 10.063 8.361 -6.320 1.00 0.00 N ATOM 219 CA PRO A 19 10.692 8.607 -5.019 1.00 0.00 C ATOM 220 C PRO A 19 10.049 9.774 -4.276 1.00 0.00 C ATOM 221 O PRO A 19 10.282 10.942 -4.586 1.00 0.00 O ATOM 222 CB PRO A 19 12.141 8.938 -5.382 1.00 0.00 C ATOM 223 CG PRO A 19 12.073 9.460 -6.776 1.00 0.00 C ATOM 224 CD PRO A 19 10.948 8.716 -7.441 1.00 0.00 C ATOM 0 HA PRO A 19 10.591 7.753 -4.349 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.560 9.679 -4.702 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.776 8.054 -5.321 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.888 10.534 -6.782 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.014 9.296 -7.301 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.436 9.336 -8.176 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.307 7.830 -7.966 1.00 0.00 H new ATOM 232 N PRO A 20 9.220 9.453 -3.272 1.00 0.00 N ATOM 233 CA PRO A 20 8.528 10.461 -2.464 1.00 0.00 C ATOM 234 C PRO A 20 9.482 11.235 -1.560 1.00 0.00 C ATOM 235 O PRO A 20 10.635 10.851 -1.361 1.00 0.00 O ATOM 236 CB PRO A 20 7.550 9.634 -1.625 1.00 0.00 C ATOM 237 CG PRO A 20 8.170 8.282 -1.545 1.00 0.00 C ATOM 238 CD PRO A 20 8.896 8.081 -2.847 1.00 0.00 C ATOM 0 HA PRO A 20 8.046 11.218 -3.083 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.414 10.067 -0.634 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.566 9.591 -2.092 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.857 8.217 -0.701 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.412 7.513 -1.398 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.795 7.478 -2.717 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.272 7.570 -3.580 1.00 0.00 H new ATOM 246 N PRO A 21 8.992 12.351 -0.999 1.00 0.00 N ATOM 247 CA PRO A 21 9.785 13.201 -0.106 1.00 0.00 C ATOM 248 C PRO A 21 10.065 12.531 1.235 1.00 0.00 C ATOM 249 O PRO A 21 9.464 11.516 1.587 1.00 0.00 O ATOM 250 CB PRO A 21 8.901 14.435 0.087 1.00 0.00 C ATOM 251 CG PRO A 21 7.513 13.948 -0.153 1.00 0.00 C ATOM 252 CD PRO A 21 7.627 12.867 -1.192 1.00 0.00 C ATOM 0 HA PRO A 21 10.767 13.425 -0.522 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.008 14.846 1.091 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.169 15.227 -0.612 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.071 13.562 0.765 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.870 14.757 -0.500 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.879 12.088 -1.045 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.485 13.260 -2.199 1.00 0.00 H new ATOM 260 N PRO A 22 10.998 13.112 2.004 1.00 0.00 N ATOM 261 CA PRO A 22 11.377 12.588 3.320 1.00 0.00 C ATOM 262 C PRO A 22 10.272 12.767 4.356 1.00 0.00 C ATOM 263 O PRO A 22 10.331 12.196 5.445 1.00 0.00 O ATOM 264 CB PRO A 22 12.602 13.425 3.695 1.00 0.00 C ATOM 265 CG PRO A 22 12.441 14.696 2.934 1.00 0.00 C ATOM 266 CD PRO A 22 11.754 14.324 1.649 1.00 0.00 C ATOM 0 HA PRO A 22 11.569 11.515 3.292 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.642 13.609 4.769 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.527 12.916 3.424 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.849 15.417 3.498 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.408 15.160 2.740 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.096 15.120 1.300 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.471 14.131 0.851 1.00 0.00 H new ATOM 274 N ASP A 23 9.266 13.562 4.009 1.00 0.00 N ATOM 275 CA ASP A 23 8.146 13.815 4.908 1.00 0.00 C ATOM 276 C ASP A 23 7.067 12.749 4.746 1.00 0.00 C ATOM 277 O ASP A 23 6.296 12.485 5.669 1.00 0.00 O ATOM 278 CB ASP A 23 7.555 15.201 4.644 1.00 0.00 C ATOM 279 CG ASP A 23 8.084 16.248 5.605 1.00 0.00 C ATOM 280 OD1 ASP A 23 8.083 15.987 6.826 1.00 0.00 O ATOM 281 OD2 ASP A 23 8.497 17.329 5.135 1.00 0.00 O ATOM 0 H ASP A 23 9.203 14.042 3.111 1.00 0.00 H new ATOM 0 HA ASP A 23 8.518 13.776 5.932 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.784 15.502 3.622 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.469 15.152 4.726 1.00 0.00 H new ATOM 286 N VAL A 24 7.018 12.139 3.566 1.00 0.00 N ATOM 287 CA VAL A 24 6.034 11.101 3.282 1.00 0.00 C ATOM 288 C VAL A 24 6.681 9.721 3.261 1.00 0.00 C ATOM 289 O VAL A 24 6.012 8.708 3.463 1.00 0.00 O ATOM 290 CB VAL A 24 5.331 11.348 1.934 1.00 0.00 C ATOM 291 CG1 VAL A 24 4.222 10.331 1.716 1.00 0.00 C ATOM 292 CG2 VAL A 24 4.786 12.766 1.870 1.00 0.00 C ATOM 0 H VAL A 24 7.648 12.346 2.791 1.00 0.00 H new ATOM 0 HA VAL A 24 5.294 11.139 4.081 1.00 0.00 H new ATOM 0 HB VAL A 24 6.063 11.228 1.135 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.737 10.521 0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.645 9.326 1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.488 10.415 2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.293 12.923 0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.068 12.917 2.676 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.606 13.476 1.977 1.00 0.00 H new ATOM 302 N GLN A 25 7.987 9.689 3.014 1.00 0.00 N ATOM 303 CA GLN A 25 8.724 8.432 2.966 1.00 0.00 C ATOM 304 C GLN A 25 8.468 7.602 4.219 1.00 0.00 C ATOM 305 O GLN A 25 8.028 6.454 4.154 1.00 0.00 O ATOM 306 CB GLN A 25 10.223 8.702 2.816 1.00 0.00 C ATOM 307 CG GLN A 25 10.786 8.274 1.470 1.00 0.00 C ATOM 308 CD GLN A 25 12.129 7.583 1.592 1.00 0.00 C ATOM 309 OE1 GLN A 25 13.143 8.079 1.100 1.00 0.00 O ATOM 310 NE2 GLN A 25 12.144 6.430 2.252 1.00 0.00 N ATOM 0 H GLN A 25 8.556 10.519 2.844 1.00 0.00 H new ATOM 0 HA GLN A 25 8.374 7.867 2.102 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.408 9.767 2.956 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.759 8.179 3.608 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.079 7.603 0.982 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.889 9.149 0.829 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.280 6.055 2.644 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.020 5.920 2.367 1.00 0.00 H new ATOM 319 N PRO A 26 8.748 8.195 5.390 1.00 0.00 N ATOM 320 CA PRO A 26 8.555 7.528 6.681 1.00 0.00 C ATOM 321 C PRO A 26 7.081 7.335 7.019 1.00 0.00 C ATOM 322 O PRO A 26 6.735 6.569 7.918 1.00 0.00 O ATOM 323 CB PRO A 26 9.212 8.486 7.677 1.00 0.00 C ATOM 324 CG PRO A 26 9.146 9.821 7.018 1.00 0.00 C ATOM 325 CD PRO A 26 9.274 9.561 5.543 1.00 0.00 C ATOM 0 HA PRO A 26 8.981 6.525 6.689 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.684 8.489 8.631 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.242 8.197 7.884 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.205 10.323 7.246 1.00 0.00 H new ATOM 0 HG3 PRO A 26 9.947 10.470 7.371 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.701 10.280 4.957 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.310 9.632 5.211 1.00 0.00 H new ATOM 333 N VAL A 27 6.215 8.036 6.293 1.00 0.00 N ATOM 334 CA VAL A 27 4.778 7.941 6.515 1.00 0.00 C ATOM 335 C VAL A 27 4.185 6.747 5.775 1.00 0.00 C ATOM 336 O VAL A 27 3.141 6.219 6.162 1.00 0.00 O ATOM 337 CB VAL A 27 4.053 9.222 6.063 1.00 0.00 C ATOM 338 CG1 VAL A 27 2.552 9.089 6.269 1.00 0.00 C ATOM 339 CG2 VAL A 27 4.597 10.432 6.808 1.00 0.00 C ATOM 0 H VAL A 27 6.485 8.676 5.546 1.00 0.00 H new ATOM 0 HA VAL A 27 4.632 7.810 7.587 1.00 0.00 H new ATOM 0 HB VAL A 27 4.237 9.366 4.998 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.058 10.004 5.944 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.178 8.248 5.686 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.343 8.920 7.325 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.074 11.329 6.477 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.445 10.298 7.879 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.662 10.537 6.603 1.00 0.00 H new ATOM 349 N ILE A 28 4.856 6.326 4.709 1.00 0.00 N ATOM 350 CA ILE A 28 4.397 5.193 3.915 1.00 0.00 C ATOM 351 C ILE A 28 5.013 3.889 4.410 1.00 0.00 C ATOM 352 O ILE A 28 4.341 2.860 4.479 1.00 0.00 O ATOM 353 CB ILE A 28 4.737 5.375 2.424 1.00 0.00 C ATOM 354 CG1 ILE A 28 4.105 6.661 1.888 1.00 0.00 C ATOM 355 CG2 ILE A 28 4.264 4.172 1.622 1.00 0.00 C ATOM 356 CD1 ILE A 28 4.693 7.121 0.573 1.00 0.00 C ATOM 0 H ILE A 28 5.720 6.753 4.375 1.00 0.00 H new ATOM 0 HA ILE A 28 3.314 5.147 4.029 1.00 0.00 H new ATOM 0 HB ILE A 28 5.819 5.453 2.320 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.034 6.505 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.227 7.452 2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.512 4.316 0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.756 3.272 1.991 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.185 4.065 1.729 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.197 8.038 0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.759 7.310 0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.547 6.348 -0.181 1.00 0.00 H new ATOM 368 N ASP A 29 6.295 3.940 4.754 1.00 0.00 N ATOM 369 CA ASP A 29 7.002 2.764 5.246 1.00 0.00 C ATOM 370 C ASP A 29 6.441 2.315 6.592 1.00 0.00 C ATOM 371 O ASP A 29 6.229 1.125 6.823 1.00 0.00 O ATOM 372 CB ASP A 29 8.497 3.058 5.376 1.00 0.00 C ATOM 373 CG ASP A 29 9.354 2.029 4.664 1.00 0.00 C ATOM 374 OD1 ASP A 29 9.575 0.942 5.238 1.00 0.00 O ATOM 375 OD2 ASP A 29 9.803 2.311 3.534 1.00 0.00 O ATOM 0 H ASP A 29 6.866 4.784 4.701 1.00 0.00 H new ATOM 0 HA ASP A 29 6.859 1.958 4.526 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.707 4.047 4.967 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.769 3.085 6.431 1.00 0.00 H new ATOM 380 N LYS A 30 6.203 3.276 7.478 1.00 0.00 N ATOM 381 CA LYS A 30 5.666 2.982 8.801 1.00 0.00 C ATOM 382 C LYS A 30 4.404 2.131 8.700 1.00 0.00 C ATOM 383 O LYS A 30 4.109 1.332 9.589 1.00 0.00 O ATOM 384 CB LYS A 30 5.358 4.281 9.550 1.00 0.00 C ATOM 385 CG LYS A 30 4.919 4.065 10.987 1.00 0.00 C ATOM 386 CD LYS A 30 5.229 5.275 11.853 1.00 0.00 C ATOM 387 CE LYS A 30 3.987 6.115 12.103 1.00 0.00 C ATOM 388 NZ LYS A 30 3.764 7.112 11.020 1.00 0.00 N ATOM 0 H LYS A 30 6.374 4.266 7.303 1.00 0.00 H new ATOM 0 HA LYS A 30 6.419 2.420 9.354 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.245 4.915 9.541 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.575 4.821 9.017 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.849 3.861 11.015 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.421 3.187 11.394 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.644 4.945 12.805 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.991 5.885 11.368 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.117 5.463 12.181 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.084 6.632 13.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.908 7.665 11.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.583 7.751 10.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.646 6.618 10.112 1.00 0.00 H new ATOM 402 N LEU A 31 3.664 2.306 7.610 1.00 0.00 N ATOM 403 CA LEU A 31 2.435 1.552 7.392 1.00 0.00 C ATOM 404 C LEU A 31 2.721 0.240 6.669 1.00 0.00 C ATOM 405 O LEU A 31 2.161 -0.802 7.007 1.00 0.00 O ATOM 406 CB LEU A 31 1.439 2.386 6.583 1.00 0.00 C ATOM 407 CG LEU A 31 -0.017 1.922 6.629 1.00 0.00 C ATOM 408 CD1 LEU A 31 -0.569 2.032 8.042 1.00 0.00 C ATOM 409 CD2 LEU A 31 -0.865 2.731 5.658 1.00 0.00 C ATOM 0 H LEU A 31 3.894 2.963 6.864 1.00 0.00 H new ATOM 0 HA LEU A 31 2.002 1.322 8.365 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.483 3.415 6.940 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.764 2.395 5.543 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.054 0.875 6.328 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.606 1.697 8.054 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.022 1.408 8.713 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.519 3.069 8.373 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.898 2.387 5.704 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.821 3.786 5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.484 2.600 4.645 1.00 0.00 H new ATOM 421 N ALA A 32 3.600 0.299 5.673 1.00 0.00 N ATOM 422 CA ALA A 32 3.965 -0.885 4.905 1.00 0.00 C ATOM 423 C ALA A 32 4.493 -1.989 5.815 1.00 0.00 C ATOM 424 O ALA A 32 4.390 -3.172 5.495 1.00 0.00 O ATOM 425 CB ALA A 32 4.999 -0.530 3.847 1.00 0.00 C ATOM 0 H ALA A 32 4.072 1.154 5.380 1.00 0.00 H new ATOM 0 HA ALA A 32 3.068 -1.257 4.410 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.262 -1.424 3.281 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.586 0.219 3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.891 -0.130 4.330 1.00 0.00 H new ATOM 431 N GLU A 33 5.060 -1.592 6.951 1.00 0.00 N ATOM 432 CA GLU A 33 5.606 -2.549 7.906 1.00 0.00 C ATOM 433 C GLU A 33 4.511 -3.092 8.819 1.00 0.00 C ATOM 434 O GLU A 33 4.572 -4.237 9.268 1.00 0.00 O ATOM 435 CB GLU A 33 6.706 -1.895 8.744 1.00 0.00 C ATOM 436 CG GLU A 33 7.331 -2.831 9.765 1.00 0.00 C ATOM 437 CD GLU A 33 7.022 -2.426 11.194 1.00 0.00 C ATOM 438 OE1 GLU A 33 5.943 -1.841 11.425 1.00 0.00 O ATOM 439 OE2 GLU A 33 7.860 -2.694 12.080 1.00 0.00 O ATOM 0 H GLU A 33 5.153 -0.616 7.231 1.00 0.00 H new ATOM 0 HA GLU A 33 6.032 -3.381 7.345 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.486 -1.524 8.079 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.291 -1.031 9.262 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.969 -3.845 9.592 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.411 -2.849 9.622 1.00 0.00 H new ATOM 446 N TYR A 34 3.509 -2.262 9.089 1.00 0.00 N ATOM 447 CA TYR A 34 2.401 -2.657 9.951 1.00 0.00 C ATOM 448 C TYR A 34 1.442 -3.586 9.214 1.00 0.00 C ATOM 449 O TYR A 34 1.106 -4.665 9.702 1.00 0.00 O ATOM 450 CB TYR A 34 1.650 -1.421 10.449 1.00 0.00 C ATOM 451 CG TYR A 34 1.180 -1.534 11.882 1.00 0.00 C ATOM 452 CD1 TYR A 34 2.047 -1.289 12.939 1.00 0.00 C ATOM 453 CD2 TYR A 34 -0.131 -1.888 12.178 1.00 0.00 C ATOM 454 CE1 TYR A 34 1.622 -1.393 14.250 1.00 0.00 C ATOM 455 CE2 TYR A 34 -0.564 -1.992 13.485 1.00 0.00 C ATOM 456 CZ TYR A 34 0.316 -1.744 14.518 1.00 0.00 C ATOM 457 OH TYR A 34 -0.112 -1.848 15.821 1.00 0.00 O ATOM 0 H TYR A 34 3.441 -1.312 8.724 1.00 0.00 H new ATOM 0 HA TYR A 34 2.812 -3.193 10.806 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.299 -0.550 10.356 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.788 -1.246 9.805 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.071 -1.013 12.733 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.823 -2.085 11.372 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.309 -1.200 15.060 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.587 -2.266 13.698 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.058 -2.103 15.835 1.00 0.00 H new ATOM 467 N VAL A 35 1.004 -3.158 8.033 1.00 0.00 N ATOM 468 CA VAL A 35 0.085 -3.951 7.226 1.00 0.00 C ATOM 469 C VAL A 35 0.687 -5.308 6.880 1.00 0.00 C ATOM 470 O VAL A 35 -0.028 -6.300 6.744 1.00 0.00 O ATOM 471 CB VAL A 35 -0.290 -3.221 5.923 1.00 0.00 C ATOM 472 CG1 VAL A 35 -1.334 -4.012 5.149 1.00 0.00 C ATOM 473 CG2 VAL A 35 -0.790 -1.816 6.224 1.00 0.00 C ATOM 0 H VAL A 35 1.271 -2.267 7.615 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.815 -4.098 7.824 1.00 0.00 H new ATOM 0 HB VAL A 35 0.603 -3.139 5.303 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.587 -3.481 4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.935 -4.995 4.901 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.230 -4.127 5.760 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.050 -1.315 5.292 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.671 -1.872 6.864 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.008 -1.253 6.732 1.00 0.00 H new ATOM 483 N ALA A 36 2.008 -5.344 6.740 1.00 0.00 N ATOM 484 CA ALA A 36 2.708 -6.580 6.412 1.00 0.00 C ATOM 485 C ALA A 36 2.696 -7.547 7.592 1.00 0.00 C ATOM 486 O ALA A 36 2.449 -8.741 7.425 1.00 0.00 O ATOM 487 CB ALA A 36 4.138 -6.281 5.988 1.00 0.00 C ATOM 0 H ALA A 36 2.615 -4.531 6.849 1.00 0.00 H new ATOM 0 HA ALA A 36 2.186 -7.054 5.581 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.648 -7.213 5.746 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.130 -5.634 5.111 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.662 -5.781 6.803 1.00 0.00 H new ATOM 493 N ARG A 37 2.966 -7.023 8.783 1.00 0.00 N ATOM 494 CA ARG A 37 2.988 -7.841 9.990 1.00 0.00 C ATOM 495 C ARG A 37 1.579 -8.286 10.371 1.00 0.00 C ATOM 496 O ARG A 37 1.308 -9.479 10.497 1.00 0.00 O ATOM 497 CB ARG A 37 3.619 -7.064 11.147 1.00 0.00 C ATOM 498 CG ARG A 37 5.026 -7.521 11.492 1.00 0.00 C ATOM 499 CD ARG A 37 5.979 -7.322 10.324 1.00 0.00 C ATOM 500 NE ARG A 37 7.331 -7.779 10.636 1.00 0.00 N ATOM 501 CZ ARG A 37 8.186 -7.091 11.384 1.00 0.00 C ATOM 502 NH1 ARG A 37 7.831 -5.920 11.895 1.00 0.00 N ATOM 503 NH2 ARG A 37 9.398 -7.574 11.623 1.00 0.00 N ATOM 0 H ARG A 37 3.172 -6.036 8.938 1.00 0.00 H new ATOM 0 HA ARG A 37 3.588 -8.728 9.787 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.643 -6.005 10.892 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.987 -7.165 12.029 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.388 -6.966 12.357 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.009 -8.574 11.774 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.605 -7.863 9.455 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.006 -6.266 10.054 1.00 0.00 H new ATOM 0 HE ARG A 37 7.635 -8.676 10.258 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.900 -5.546 11.714 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.489 -5.393 12.469 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.674 -8.475 11.232 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.054 -7.045 12.198 1.00 0.00 H new ATOM 517 N ASN A 38 0.687 -7.318 10.552 1.00 0.00 N ATOM 518 CA ASN A 38 -0.694 -7.611 10.919 1.00 0.00 C ATOM 519 C ASN A 38 -1.403 -8.375 9.806 1.00 0.00 C ATOM 520 O ASN A 38 -1.773 -9.536 9.973 1.00 0.00 O ATOM 521 CB ASN A 38 -1.448 -6.314 11.224 1.00 0.00 C ATOM 522 CG ASN A 38 -1.078 -5.734 12.575 1.00 0.00 C ATOM 523 OD1 ASN A 38 -1.821 -5.872 13.547 1.00 0.00 O ATOM 524 ND2 ASN A 38 0.076 -5.080 12.642 1.00 0.00 N ATOM 0 H ASN A 38 0.895 -6.325 10.451 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.682 -8.236 11.812 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.234 -5.581 10.446 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.521 -6.505 11.195 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.378 -4.668 13.525 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.660 -4.990 11.811 1.00 0.00 H new ATOM 531 N GLY A 39 -1.589 -7.714 8.667 1.00 0.00 N ATOM 532 CA GLY A 39 -2.252 -8.346 7.542 1.00 0.00 C ATOM 533 C GLY A 39 -2.935 -7.344 6.633 1.00 0.00 C ATOM 534 O GLY A 39 -3.250 -6.229 7.052 1.00 0.00 O ATOM 0 H GLY A 39 -1.292 -6.752 8.504 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.521 -8.915 6.967 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.990 -9.058 7.912 1.00 0.00 H new ATOM 538 N LEU A 40 -3.164 -7.738 5.385 1.00 0.00 N ATOM 539 CA LEU A 40 -3.812 -6.865 4.413 1.00 0.00 C ATOM 540 C LEU A 40 -5.139 -6.340 4.953 1.00 0.00 C ATOM 541 O LEU A 40 -5.547 -5.220 4.647 1.00 0.00 O ATOM 542 CB LEU A 40 -4.043 -7.614 3.099 1.00 0.00 C ATOM 543 CG LEU A 40 -3.502 -6.940 1.838 1.00 0.00 C ATOM 544 CD1 LEU A 40 -3.202 -7.975 0.766 1.00 0.00 C ATOM 545 CD2 LEU A 40 -4.489 -5.904 1.321 1.00 0.00 C ATOM 0 H LEU A 40 -2.910 -8.657 5.022 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.154 -6.016 4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.589 -8.601 3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.115 -7.766 2.974 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.572 -6.431 2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.818 -7.476 -0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.457 -8.678 1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.116 -8.513 0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.087 -5.435 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.435 -6.390 1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.653 -5.144 2.085 1.00 0.00 H new ATOM 557 N LYS A 41 -5.808 -7.157 5.759 1.00 0.00 N ATOM 558 CA LYS A 41 -7.088 -6.776 6.345 1.00 0.00 C ATOM 559 C LYS A 41 -6.982 -5.429 7.053 1.00 0.00 C ATOM 560 O LYS A 41 -7.915 -4.627 7.026 1.00 0.00 O ATOM 561 CB LYS A 41 -7.560 -7.847 7.331 1.00 0.00 C ATOM 562 CG LYS A 41 -8.615 -8.778 6.759 1.00 0.00 C ATOM 563 CD LYS A 41 -9.972 -8.100 6.679 1.00 0.00 C ATOM 564 CE LYS A 41 -10.642 -8.031 8.043 1.00 0.00 C ATOM 565 NZ LYS A 41 -11.429 -6.778 8.212 1.00 0.00 N ATOM 0 H LYS A 41 -5.485 -8.088 6.022 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.816 -6.687 5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.702 -8.437 7.651 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.961 -7.359 8.220 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.312 -9.106 5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.689 -9.671 7.380 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.854 -7.093 6.279 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.612 -8.645 5.985 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.299 -8.892 8.169 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.884 -8.092 8.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.870 -6.769 9.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.798 -5.956 8.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.169 -6.732 7.483 1.00 0.00 H new ATOM 579 N PHE A 42 -5.839 -5.187 7.686 1.00 0.00 N ATOM 580 CA PHE A 42 -5.611 -3.936 8.401 1.00 0.00 C ATOM 581 C PHE A 42 -5.724 -2.742 7.458 1.00 0.00 C ATOM 582 O PHE A 42 -6.136 -1.656 7.863 1.00 0.00 O ATOM 583 CB PHE A 42 -4.232 -3.948 9.065 1.00 0.00 C ATOM 584 CG PHE A 42 -4.014 -2.804 10.013 1.00 0.00 C ATOM 585 CD1 PHE A 42 -3.511 -1.595 9.558 1.00 0.00 C ATOM 586 CD2 PHE A 42 -4.313 -2.936 11.360 1.00 0.00 C ATOM 587 CE1 PHE A 42 -3.309 -0.541 10.429 1.00 0.00 C ATOM 588 CE2 PHE A 42 -4.113 -1.885 12.235 1.00 0.00 C ATOM 589 CZ PHE A 42 -3.611 -0.686 11.769 1.00 0.00 C ATOM 0 H PHE A 42 -5.056 -5.840 7.719 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.377 -3.842 9.171 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.106 -4.886 9.605 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.465 -3.920 8.291 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.274 -1.475 8.511 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.707 -3.871 11.730 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.915 0.395 10.062 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.349 -2.001 13.282 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.455 0.137 12.451 1.00 0.00 H new ATOM 599 N GLU A 43 -5.354 -2.953 6.199 1.00 0.00 N ATOM 600 CA GLU A 43 -5.412 -1.894 5.198 1.00 0.00 C ATOM 601 C GLU A 43 -6.833 -1.356 5.058 1.00 0.00 C ATOM 602 O GLU A 43 -7.039 -0.205 4.671 1.00 0.00 O ATOM 603 CB GLU A 43 -4.915 -2.410 3.847 1.00 0.00 C ATOM 604 CG GLU A 43 -4.493 -1.307 2.891 1.00 0.00 C ATOM 605 CD GLU A 43 -5.064 -1.490 1.499 1.00 0.00 C ATOM 606 OE1 GLU A 43 -5.321 -2.650 1.112 1.00 0.00 O ATOM 607 OE2 GLU A 43 -5.254 -0.476 0.796 1.00 0.00 O ATOM 0 H GLU A 43 -5.011 -3.847 5.848 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.765 -1.082 5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.070 -3.079 4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.704 -3.001 3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.816 -0.344 3.288 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.405 -1.279 2.832 1.00 0.00 H new ATOM 614 N THR A 44 -7.813 -2.197 5.375 1.00 0.00 N ATOM 615 CA THR A 44 -9.214 -1.808 5.283 1.00 0.00 C ATOM 616 C THR A 44 -9.568 -0.772 6.343 1.00 0.00 C ATOM 617 O THR A 44 -10.434 0.077 6.131 1.00 0.00 O ATOM 618 CB THR A 44 -10.146 -3.025 5.439 1.00 0.00 C ATOM 619 OG1 THR A 44 -9.822 -4.019 4.461 1.00 0.00 O ATOM 620 CG2 THR A 44 -11.603 -2.614 5.289 1.00 0.00 C ATOM 0 H THR A 44 -7.661 -3.153 5.698 1.00 0.00 H new ATOM 0 HA THR A 44 -9.357 -1.374 4.293 1.00 0.00 H new ATOM 0 HB THR A 44 -10.003 -3.438 6.437 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.418 -4.790 4.568 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.242 -3.490 5.403 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.854 -1.879 6.054 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.758 -2.178 4.302 1.00 0.00 H new ATOM 628 N SER A 45 -8.892 -0.846 7.485 1.00 0.00 N ATOM 629 CA SER A 45 -9.137 0.085 8.581 1.00 0.00 C ATOM 630 C SER A 45 -8.617 1.477 8.237 1.00 0.00 C ATOM 631 O SER A 45 -9.281 2.482 8.495 1.00 0.00 O ATOM 632 CB SER A 45 -8.473 -0.418 9.864 1.00 0.00 C ATOM 633 OG SER A 45 -8.815 0.399 10.970 1.00 0.00 O ATOM 0 H SER A 45 -8.170 -1.541 7.676 1.00 0.00 H new ATOM 0 HA SER A 45 -10.214 0.147 8.739 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.781 -1.445 10.058 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.390 -0.429 9.737 1.00 0.00 H new ATOM 0 HG SER A 45 -8.379 0.055 11.778 1.00 0.00 H new ATOM 639 N VAL A 46 -7.424 1.529 7.654 1.00 0.00 N ATOM 640 CA VAL A 46 -6.813 2.797 7.273 1.00 0.00 C ATOM 641 C VAL A 46 -7.483 3.379 6.033 1.00 0.00 C ATOM 642 O VAL A 46 -7.526 4.596 5.852 1.00 0.00 O ATOM 643 CB VAL A 46 -5.306 2.635 7.001 1.00 0.00 C ATOM 644 CG1 VAL A 46 -5.073 1.707 5.818 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.660 3.991 6.760 1.00 0.00 C ATOM 0 H VAL A 46 -6.861 0.707 7.435 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.951 3.480 8.111 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.842 2.187 7.880 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.002 1.605 5.641 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.500 0.728 6.034 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.549 2.123 4.930 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.595 3.858 6.569 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.126 4.468 5.898 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.795 4.620 7.640 1.00 0.00 H new ATOM 655 N ARG A 47 -8.005 2.502 5.182 1.00 0.00 N ATOM 656 CA ARG A 47 -8.672 2.929 3.958 1.00 0.00 C ATOM 657 C ARG A 47 -10.059 3.489 4.262 1.00 0.00 C ATOM 658 O ARG A 47 -10.497 4.458 3.643 1.00 0.00 O ATOM 659 CB ARG A 47 -8.786 1.759 2.980 1.00 0.00 C ATOM 660 CG ARG A 47 -9.015 2.189 1.540 1.00 0.00 C ATOM 661 CD ARG A 47 -9.148 0.989 0.615 1.00 0.00 C ATOM 662 NE ARG A 47 -10.418 0.993 -0.106 1.00 0.00 N ATOM 663 CZ ARG A 47 -10.671 0.215 -1.153 1.00 0.00 C ATOM 664 NH1 ARG A 47 -9.747 -0.625 -1.598 1.00 0.00 N ATOM 665 NH2 ARG A 47 -11.851 0.275 -1.756 1.00 0.00 N ATOM 0 H ARG A 47 -7.979 1.491 5.318 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.072 3.717 3.503 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.875 1.163 3.032 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.607 1.114 3.293 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.917 2.798 1.480 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.186 2.814 1.210 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.325 0.989 -0.100 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.064 0.071 1.197 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.151 1.628 0.211 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.839 -0.675 -1.136 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.944 -1.221 -2.402 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.565 0.919 -1.416 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.044 -0.323 -2.560 1.00 0.00 H new ATOM 679 N ALA A 48 -10.744 2.872 5.219 1.00 0.00 N ATOM 680 CA ALA A 48 -12.079 3.309 5.606 1.00 0.00 C ATOM 681 C ALA A 48 -12.057 4.740 6.132 1.00 0.00 C ATOM 682 O ALA A 48 -13.060 5.452 6.069 1.00 0.00 O ATOM 683 CB ALA A 48 -12.661 2.369 6.651 1.00 0.00 C ATOM 0 H ALA A 48 -10.396 2.068 5.741 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.713 3.285 4.720 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.658 2.708 6.930 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -12.722 1.361 6.240 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.020 2.363 7.532 1.00 0.00 H new ATOM 689 N LYS A 49 -10.908 5.156 6.653 1.00 0.00 N ATOM 690 CA LYS A 49 -10.754 6.503 7.191 1.00 0.00 C ATOM 691 C LYS A 49 -10.758 7.539 6.072 1.00 0.00 C ATOM 692 O LYS A 49 -11.440 8.559 6.161 1.00 0.00 O ATOM 693 CB LYS A 49 -9.455 6.608 7.993 1.00 0.00 C ATOM 694 CG LYS A 49 -9.312 5.538 9.062 1.00 0.00 C ATOM 695 CD LYS A 49 -8.887 6.134 10.394 1.00 0.00 C ATOM 696 CE LYS A 49 -7.372 6.179 10.526 1.00 0.00 C ATOM 697 NZ LYS A 49 -6.931 5.948 11.930 1.00 0.00 N ATOM 0 H LYS A 49 -10.069 4.579 6.714 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.598 6.703 7.851 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.609 6.542 7.309 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.407 7.590 8.465 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.260 5.014 9.183 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.578 4.799 8.742 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.292 7.142 10.489 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.307 5.544 11.209 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.928 5.424 9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.006 7.148 10.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.893 5.986 11.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.334 6.683 12.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.258 5.013 12.247 1.00 0.00 H new ATOM 711 N ASN A 50 -9.994 7.270 5.019 1.00 0.00 N ATOM 712 CA ASN A 50 -9.910 8.179 3.882 1.00 0.00 C ATOM 713 C ASN A 50 -9.492 9.576 4.332 1.00 0.00 C ATOM 714 O ASN A 50 -9.810 10.570 3.680 1.00 0.00 O ATOM 715 CB ASN A 50 -11.256 8.246 3.156 1.00 0.00 C ATOM 716 CG ASN A 50 -11.111 8.095 1.654 1.00 0.00 C ATOM 717 OD1 ASN A 50 -10.124 8.540 1.067 1.00 0.00 O ATOM 718 ND2 ASN A 50 -12.097 7.466 1.025 1.00 0.00 N ATOM 0 H ASN A 50 -9.424 6.429 4.929 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.154 7.796 3.197 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.910 7.461 3.536 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -11.738 9.198 3.378 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.056 7.335 0.014 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.896 7.114 1.553 1.00 0.00 H new ATOM 725 N ASP A 51 -8.778 9.642 5.450 1.00 0.00 N ATOM 726 CA ASP A 51 -8.314 10.916 5.987 1.00 0.00 C ATOM 727 C ASP A 51 -7.301 11.565 5.048 1.00 0.00 C ATOM 728 O ASP A 51 -6.537 10.876 4.373 1.00 0.00 O ATOM 729 CB ASP A 51 -7.691 10.715 7.369 1.00 0.00 C ATOM 730 CG ASP A 51 -8.306 11.621 8.418 1.00 0.00 C ATOM 731 OD1 ASP A 51 -9.544 11.586 8.581 1.00 0.00 O ATOM 732 OD2 ASP A 51 -7.549 12.363 9.077 1.00 0.00 O ATOM 0 H ASP A 51 -8.508 8.828 6.002 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.175 11.579 6.078 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.815 9.676 7.673 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.619 10.905 7.312 1.00 0.00 H new ATOM 737 N GLN A 52 -7.302 12.894 5.012 1.00 0.00 N ATOM 738 CA GLN A 52 -6.385 13.635 4.155 1.00 0.00 C ATOM 739 C GLN A 52 -4.942 13.203 4.400 1.00 0.00 C ATOM 740 O GLN A 52 -4.109 13.248 3.495 1.00 0.00 O ATOM 741 CB GLN A 52 -6.528 15.138 4.398 1.00 0.00 C ATOM 742 CG GLN A 52 -6.004 15.992 3.255 1.00 0.00 C ATOM 743 CD GLN A 52 -7.086 16.839 2.616 1.00 0.00 C ATOM 744 OE1 GLN A 52 -7.481 17.873 3.156 1.00 0.00 O ATOM 745 NE2 GLN A 52 -7.573 16.406 1.459 1.00 0.00 N ATOM 0 H GLN A 52 -7.927 13.479 5.566 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.640 13.416 3.118 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.580 15.372 4.563 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.995 15.402 5.312 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.211 16.641 3.626 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.559 15.346 2.498 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.217 15.544 1.047 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.303 16.936 0.983 1.00 0.00 H new ATOM 754 N ARG A 53 -4.656 12.785 5.629 1.00 0.00 N ATOM 755 CA ARG A 53 -3.314 12.347 5.993 1.00 0.00 C ATOM 756 C ARG A 53 -2.995 10.993 5.365 1.00 0.00 C ATOM 757 O ARG A 53 -1.847 10.711 5.021 1.00 0.00 O ATOM 758 CB ARG A 53 -3.178 12.260 7.514 1.00 0.00 C ATOM 759 CG ARG A 53 -3.158 13.615 8.202 1.00 0.00 C ATOM 760 CD ARG A 53 -2.461 13.544 9.552 1.00 0.00 C ATOM 761 NE ARG A 53 -2.627 14.776 10.319 1.00 0.00 N ATOM 762 CZ ARG A 53 -2.265 14.904 11.590 1.00 0.00 C ATOM 763 NH1 ARG A 53 -1.718 13.882 12.234 1.00 0.00 N ATOM 764 NH2 ARG A 53 -2.449 16.058 12.220 1.00 0.00 N ATOM 0 H ARG A 53 -5.335 12.741 6.389 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.604 13.081 5.613 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.006 11.672 7.911 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.261 11.724 7.758 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.649 14.340 7.566 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.179 13.971 8.337 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.860 12.705 10.122 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.399 13.351 9.402 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.044 15.582 9.853 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.574 12.994 11.753 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.441 13.984 13.210 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.869 16.847 11.728 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.171 16.156 13.196 1.00 0.00 H new ATOM 778 N PHE A 54 -4.019 10.158 5.219 1.00 0.00 N ATOM 779 CA PHE A 54 -3.847 8.834 4.634 1.00 0.00 C ATOM 780 C PHE A 54 -4.457 8.773 3.236 1.00 0.00 C ATOM 781 O PHE A 54 -5.250 7.884 2.932 1.00 0.00 O ATOM 782 CB PHE A 54 -4.489 7.771 5.528 1.00 0.00 C ATOM 783 CG PHE A 54 -3.747 7.542 6.814 1.00 0.00 C ATOM 784 CD1 PHE A 54 -2.694 6.644 6.871 1.00 0.00 C ATOM 785 CD2 PHE A 54 -4.103 8.225 7.966 1.00 0.00 C ATOM 786 CE1 PHE A 54 -2.010 6.431 8.053 1.00 0.00 C ATOM 787 CE2 PHE A 54 -3.423 8.016 9.151 1.00 0.00 C ATOM 788 CZ PHE A 54 -2.374 7.119 9.194 1.00 0.00 C ATOM 0 H PHE A 54 -4.976 10.375 5.498 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.778 8.636 4.554 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -5.512 8.069 5.756 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -4.546 6.831 4.978 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.404 6.104 5.982 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.922 8.929 7.938 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.191 5.727 8.084 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.712 8.554 10.042 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.839 6.956 10.118 1.00 0.00 H new ATOM 798 N GLU A 55 -4.079 9.727 2.391 1.00 0.00 N ATOM 799 CA GLU A 55 -4.590 9.784 1.026 1.00 0.00 C ATOM 800 C GLU A 55 -3.667 9.034 0.069 1.00 0.00 C ATOM 801 O GLU A 55 -4.102 8.544 -0.973 1.00 0.00 O ATOM 802 CB GLU A 55 -4.739 11.238 0.573 1.00 0.00 C ATOM 803 CG GLU A 55 -3.444 12.030 0.634 1.00 0.00 C ATOM 804 CD GLU A 55 -3.587 13.427 0.061 1.00 0.00 C ATOM 805 OE1 GLU A 55 -4.354 13.592 -0.911 1.00 0.00 O ATOM 806 OE2 GLU A 55 -2.933 14.353 0.583 1.00 0.00 O ATOM 0 H GLU A 55 -3.421 10.470 2.627 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.569 9.305 1.011 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.117 11.254 -0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.485 11.730 1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.113 12.098 1.670 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.669 11.494 0.086 1.00 0.00 H new ATOM 813 N PHE A 56 -2.391 8.949 0.431 1.00 0.00 N ATOM 814 CA PHE A 56 -1.406 8.261 -0.395 1.00 0.00 C ATOM 815 C PHE A 56 -1.833 6.820 -0.663 1.00 0.00 C ATOM 816 O PHE A 56 -1.442 6.222 -1.666 1.00 0.00 O ATOM 817 CB PHE A 56 -0.036 8.281 0.284 1.00 0.00 C ATOM 818 CG PHE A 56 -0.001 7.534 1.587 1.00 0.00 C ATOM 819 CD1 PHE A 56 -0.400 8.149 2.764 1.00 0.00 C ATOM 820 CD2 PHE A 56 0.428 6.218 1.635 1.00 0.00 C ATOM 821 CE1 PHE A 56 -0.368 7.464 3.964 1.00 0.00 C ATOM 822 CE2 PHE A 56 0.462 5.528 2.832 1.00 0.00 C ATOM 823 CZ PHE A 56 0.062 6.152 3.998 1.00 0.00 C ATOM 0 H PHE A 56 -2.015 9.348 1.291 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.338 8.785 -1.348 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.702 7.850 -0.392 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.258 9.316 0.460 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.739 9.174 2.743 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.740 5.725 0.726 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.679 7.954 4.875 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.801 4.503 2.856 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.086 5.615 4.935 1.00 0.00 H new ATOM 833 N LEU A 57 -2.635 6.270 0.241 1.00 0.00 N ATOM 834 CA LEU A 57 -3.115 4.899 0.104 1.00 0.00 C ATOM 835 C LEU A 57 -4.129 4.787 -1.030 1.00 0.00 C ATOM 836 O LEU A 57 -4.292 3.724 -1.627 1.00 0.00 O ATOM 837 CB LEU A 57 -3.744 4.424 1.415 1.00 0.00 C ATOM 838 CG LEU A 57 -2.775 3.888 2.469 1.00 0.00 C ATOM 839 CD1 LEU A 57 -3.283 4.200 3.869 1.00 0.00 C ATOM 840 CD2 LEU A 57 -2.574 2.390 2.295 1.00 0.00 C ATOM 0 H LEU A 57 -2.967 6.752 1.077 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.261 4.264 -0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.299 5.255 1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.468 3.642 1.185 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.813 4.382 2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.581 3.811 4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.376 5.279 3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.257 3.734 4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.881 2.025 3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.531 1.880 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.165 2.190 1.304 1.00 0.00 H new ATOM 852 N GLN A 58 -4.806 5.893 -1.321 1.00 0.00 N ATOM 853 CA GLN A 58 -5.804 5.919 -2.385 1.00 0.00 C ATOM 854 C GLN A 58 -5.211 5.423 -3.700 1.00 0.00 C ATOM 855 O GLN A 58 -4.006 5.510 -3.937 1.00 0.00 O ATOM 856 CB GLN A 58 -6.354 7.335 -2.562 1.00 0.00 C ATOM 857 CG GLN A 58 -7.104 7.853 -1.345 1.00 0.00 C ATOM 858 CD GLN A 58 -8.422 7.136 -1.123 1.00 0.00 C ATOM 859 OE1 GLN A 58 -9.381 7.330 -1.871 1.00 0.00 O ATOM 860 NE2 GLN A 58 -8.475 6.301 -0.092 1.00 0.00 N ATOM 0 H GLN A 58 -4.682 6.782 -0.836 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.619 5.253 -2.101 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.529 8.011 -2.785 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -7.021 7.352 -3.424 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.478 7.737 -0.460 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.291 8.920 -1.465 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.656 6.171 0.502 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.335 5.790 0.106 1.00 0.00 H new ATOM 869 N PRO A 59 -6.075 4.891 -4.576 1.00 0.00 N ATOM 870 CA PRO A 59 -5.659 4.371 -5.882 1.00 0.00 C ATOM 871 C PRO A 59 -5.224 5.478 -6.835 1.00 0.00 C ATOM 872 O PRO A 59 -4.169 5.391 -7.463 1.00 0.00 O ATOM 873 CB PRO A 59 -6.920 3.678 -6.406 1.00 0.00 C ATOM 874 CG PRO A 59 -8.046 4.369 -5.716 1.00 0.00 C ATOM 875 CD PRO A 59 -7.525 4.755 -4.359 1.00 0.00 C ATOM 0 HA PRO A 59 -4.796 3.711 -5.802 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.002 3.771 -7.489 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.910 2.612 -6.178 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.366 5.248 -6.276 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -8.912 3.713 -5.629 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -7.968 5.687 -4.009 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.750 3.995 -3.611 1.00 0.00 H new ATOM 883 N TRP A 60 -6.043 6.519 -6.938 1.00 0.00 N ATOM 884 CA TRP A 60 -5.742 7.644 -7.815 1.00 0.00 C ATOM 885 C TRP A 60 -4.382 8.247 -7.481 1.00 0.00 C ATOM 886 O TRP A 60 -3.669 8.725 -8.364 1.00 0.00 O ATOM 887 CB TRP A 60 -6.830 8.713 -7.699 1.00 0.00 C ATOM 888 CG TRP A 60 -6.950 9.291 -6.321 1.00 0.00 C ATOM 889 CD1 TRP A 60 -7.819 8.900 -5.343 1.00 0.00 C ATOM 890 CD2 TRP A 60 -6.178 10.363 -5.771 1.00 0.00 C ATOM 891 NE1 TRP A 60 -7.633 9.665 -4.217 1.00 0.00 N ATOM 892 CE2 TRP A 60 -6.632 10.570 -4.453 1.00 0.00 C ATOM 893 CE3 TRP A 60 -5.147 11.168 -6.262 1.00 0.00 C ATOM 894 CZ2 TRP A 60 -6.090 11.548 -3.624 1.00 0.00 C ATOM 895 CZ3 TRP A 60 -4.610 12.139 -5.438 1.00 0.00 C ATOM 896 CH2 TRP A 60 -5.081 12.322 -4.131 1.00 0.00 C ATOM 0 H TRP A 60 -6.920 6.607 -6.425 1.00 0.00 H new ATOM 0 HA TRP A 60 -5.713 7.275 -8.840 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -6.617 9.516 -8.405 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -7.787 8.280 -7.988 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -8.545 8.107 -5.440 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -8.156 9.574 -3.346 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -4.776 11.034 -7.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.453 11.691 -2.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -3.814 12.768 -5.808 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.639 13.089 -3.512 1.00 0.00 H new ATOM 907 N HIS A 61 -4.027 8.220 -6.200 1.00 0.00 N ATOM 908 CA HIS A 61 -2.751 8.764 -5.749 1.00 0.00 C ATOM 909 C HIS A 61 -1.586 8.056 -6.435 1.00 0.00 C ATOM 910 O HIS A 61 -1.716 6.915 -6.878 1.00 0.00 O ATOM 911 CB HIS A 61 -2.622 8.628 -4.231 1.00 0.00 C ATOM 912 CG HIS A 61 -2.139 9.876 -3.557 1.00 0.00 C ATOM 913 ND1 HIS A 61 -0.889 10.415 -3.778 1.00 0.00 N ATOM 914 CD2 HIS A 61 -2.747 10.691 -2.665 1.00 0.00 C ATOM 915 CE1 HIS A 61 -0.749 11.507 -3.049 1.00 0.00 C ATOM 916 NE2 HIS A 61 -1.863 11.698 -2.364 1.00 0.00 N ATOM 0 H HIS A 61 -4.605 7.827 -5.457 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.720 9.820 -6.016 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.591 8.352 -3.815 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -1.934 7.813 -4.004 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -3.743 10.572 -2.264 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.127 12.137 -3.018 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -2.038 12.467 -1.718 1.00 0.00 H new ATOM 924 N GLN A 62 -0.451 8.742 -6.521 1.00 0.00 N ATOM 925 CA GLN A 62 0.736 8.179 -7.154 1.00 0.00 C ATOM 926 C GLN A 62 1.618 7.474 -6.129 1.00 0.00 C ATOM 927 O GLN A 62 2.195 6.423 -6.410 1.00 0.00 O ATOM 928 CB GLN A 62 1.532 9.277 -7.861 1.00 0.00 C ATOM 929 CG GLN A 62 2.032 10.365 -6.924 1.00 0.00 C ATOM 930 CD GLN A 62 2.656 11.531 -7.665 1.00 0.00 C ATOM 931 OE1 GLN A 62 3.805 11.897 -7.414 1.00 0.00 O ATOM 932 NE2 GLN A 62 1.901 12.122 -8.583 1.00 0.00 N ATOM 0 H GLN A 62 -0.328 9.688 -6.160 1.00 0.00 H new ATOM 0 HA GLN A 62 0.410 7.445 -7.891 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.385 8.826 -8.369 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.906 9.730 -8.630 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.202 10.727 -6.318 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.766 9.940 -6.239 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.954 11.786 -8.758 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.268 12.913 -9.113 1.00 0.00 H new ATOM 941 N TYR A 63 1.718 8.059 -4.941 1.00 0.00 N ATOM 942 CA TYR A 63 2.533 7.488 -3.875 1.00 0.00 C ATOM 943 C TYR A 63 2.091 6.063 -3.555 1.00 0.00 C ATOM 944 O TYR A 63 2.876 5.253 -3.063 1.00 0.00 O ATOM 945 CB TYR A 63 2.446 8.355 -2.618 1.00 0.00 C ATOM 946 CG TYR A 63 3.048 9.732 -2.789 1.00 0.00 C ATOM 947 CD1 TYR A 63 4.258 9.905 -3.449 1.00 0.00 C ATOM 948 CD2 TYR A 63 2.405 10.859 -2.293 1.00 0.00 C ATOM 949 CE1 TYR A 63 4.812 11.161 -3.606 1.00 0.00 C ATOM 950 CE2 TYR A 63 2.950 12.119 -2.447 1.00 0.00 C ATOM 951 CZ TYR A 63 4.154 12.264 -3.105 1.00 0.00 C ATOM 952 OH TYR A 63 4.702 13.517 -3.261 1.00 0.00 O ATOM 0 H TYR A 63 1.245 8.928 -4.692 1.00 0.00 H new ATOM 0 HA TYR A 63 3.567 7.460 -4.218 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.400 8.458 -2.330 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.953 7.845 -1.799 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.774 9.043 -3.846 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.462 10.748 -1.778 1.00 0.00 H new ATOM 0 HE1 TYR A 63 5.755 11.278 -4.118 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.437 12.985 -2.055 1.00 0.00 H new ATOM 0 HH TYR A 63 4.113 14.185 -2.852 1.00 0.00 H new ATOM 962 N ASN A 64 0.827 5.765 -3.838 1.00 0.00 N ATOM 963 CA ASN A 64 0.279 4.438 -3.581 1.00 0.00 C ATOM 964 C ASN A 64 1.158 3.357 -4.202 1.00 0.00 C ATOM 965 O ASN A 64 1.264 2.250 -3.674 1.00 0.00 O ATOM 966 CB ASN A 64 -1.144 4.335 -4.136 1.00 0.00 C ATOM 967 CG ASN A 64 -1.718 2.939 -3.998 1.00 0.00 C ATOM 968 OD1 ASN A 64 -1.845 2.208 -4.981 1.00 0.00 O ATOM 969 ND2 ASN A 64 -2.070 2.562 -2.774 1.00 0.00 N ATOM 0 H ASN A 64 0.163 6.424 -4.245 1.00 0.00 H new ATOM 0 HA ASN A 64 0.253 4.285 -2.502 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.787 5.043 -3.613 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.143 4.622 -5.187 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.463 1.634 -2.620 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.947 3.201 -1.988 1.00 0.00 H new ATOM 976 N ALA A 65 1.787 3.686 -5.326 1.00 0.00 N ATOM 977 CA ALA A 65 2.659 2.744 -6.017 1.00 0.00 C ATOM 978 C ALA A 65 3.835 2.337 -5.136 1.00 0.00 C ATOM 979 O ALA A 65 4.178 1.158 -5.048 1.00 0.00 O ATOM 980 CB ALA A 65 3.157 3.347 -7.322 1.00 0.00 C ATOM 0 H ALA A 65 1.709 4.597 -5.777 1.00 0.00 H new ATOM 0 HA ALA A 65 2.081 1.848 -6.241 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.807 2.633 -7.828 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.307 3.581 -7.963 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.715 4.260 -7.112 1.00 0.00 H new ATOM 986 N TYR A 66 4.449 3.319 -4.486 1.00 0.00 N ATOM 987 CA TYR A 66 5.589 3.063 -3.614 1.00 0.00 C ATOM 988 C TYR A 66 5.181 2.203 -2.422 1.00 0.00 C ATOM 989 O TYR A 66 6.000 1.477 -1.857 1.00 0.00 O ATOM 990 CB TYR A 66 6.190 4.382 -3.124 1.00 0.00 C ATOM 991 CG TYR A 66 7.302 4.203 -2.116 1.00 0.00 C ATOM 992 CD1 TYR A 66 7.029 4.120 -0.757 1.00 0.00 C ATOM 993 CD2 TYR A 66 8.628 4.117 -2.524 1.00 0.00 C ATOM 994 CE1 TYR A 66 8.042 3.957 0.167 1.00 0.00 C ATOM 995 CE2 TYR A 66 9.648 3.953 -1.607 1.00 0.00 C ATOM 996 CZ TYR A 66 9.350 3.874 -0.263 1.00 0.00 C ATOM 997 OH TYR A 66 10.363 3.711 0.655 1.00 0.00 O ATOM 0 H TYR A 66 4.176 4.300 -4.546 1.00 0.00 H new ATOM 0 HA TYR A 66 6.340 2.521 -4.190 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.573 4.937 -3.980 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.401 4.988 -2.678 1.00 0.00 H new ATOM 0 HD1 TYR A 66 6.006 4.184 -0.417 1.00 0.00 H new ATOM 0 HD2 TYR A 66 8.865 4.179 -3.576 1.00 0.00 H new ATOM 0 HE1 TYR A 66 7.812 3.895 1.220 1.00 0.00 H new ATOM 0 HE2 TYR A 66 10.673 3.887 -1.941 1.00 0.00 H new ATOM 0 HH TYR A 66 10.014 3.258 1.451 1.00 0.00 H new ATOM 1007 N TYR A 67 3.910 2.290 -2.046 1.00 0.00 N ATOM 1008 CA TYR A 67 3.392 1.522 -0.920 1.00 0.00 C ATOM 1009 C TYR A 67 3.252 0.047 -1.285 1.00 0.00 C ATOM 1010 O TYR A 67 3.526 -0.834 -0.471 1.00 0.00 O ATOM 1011 CB TYR A 67 2.039 2.079 -0.475 1.00 0.00 C ATOM 1012 CG TYR A 67 1.342 1.222 0.557 1.00 0.00 C ATOM 1013 CD1 TYR A 67 1.872 1.067 1.832 1.00 0.00 C ATOM 1014 CD2 TYR A 67 0.153 0.568 0.258 1.00 0.00 C ATOM 1015 CE1 TYR A 67 1.238 0.284 2.779 1.00 0.00 C ATOM 1016 CE2 TYR A 67 -0.488 -0.215 1.198 1.00 0.00 C ATOM 1017 CZ TYR A 67 0.059 -0.354 2.457 1.00 0.00 C ATOM 1018 OH TYR A 67 -0.576 -1.134 3.396 1.00 0.00 O ATOM 0 H TYR A 67 3.219 2.885 -2.504 1.00 0.00 H new ATOM 0 HA TYR A 67 4.102 1.608 -0.097 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.184 3.079 -0.067 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.393 2.181 -1.347 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.795 1.567 2.088 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.277 0.674 -0.727 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.664 0.173 3.765 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.412 -0.716 0.949 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.247 -1.695 2.955 1.00 0.00 H new ATOM 1028 N GLU A 68 2.824 -0.213 -2.517 1.00 0.00 N ATOM 1029 CA GLU A 68 2.647 -1.581 -2.991 1.00 0.00 C ATOM 1030 C GLU A 68 3.981 -2.319 -3.032 1.00 0.00 C ATOM 1031 O GLU A 68 4.053 -3.512 -2.735 1.00 0.00 O ATOM 1032 CB GLU A 68 2.006 -1.584 -4.380 1.00 0.00 C ATOM 1033 CG GLU A 68 0.535 -1.204 -4.374 1.00 0.00 C ATOM 1034 CD GLU A 68 -0.287 -2.039 -5.336 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -0.388 -3.265 -5.120 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -0.829 -1.467 -6.305 1.00 0.00 O ATOM 0 H GLU A 68 2.594 0.505 -3.204 1.00 0.00 H new ATOM 0 HA GLU A 68 1.987 -2.098 -2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.549 -0.891 -5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.114 -2.576 -4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.137 -1.321 -3.366 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.435 -0.151 -4.636 1.00 0.00 H new ATOM 1043 N PHE A 69 5.037 -1.601 -3.402 1.00 0.00 N ATOM 1044 CA PHE A 69 6.369 -2.188 -3.484 1.00 0.00 C ATOM 1045 C PHE A 69 6.937 -2.444 -2.091 1.00 0.00 C ATOM 1046 O PHE A 69 7.364 -3.555 -1.776 1.00 0.00 O ATOM 1047 CB PHE A 69 7.307 -1.268 -4.268 1.00 0.00 C ATOM 1048 CG PHE A 69 8.725 -1.761 -4.320 1.00 0.00 C ATOM 1049 CD1 PHE A 69 9.121 -2.673 -5.285 1.00 0.00 C ATOM 1050 CD2 PHE A 69 9.663 -1.311 -3.403 1.00 0.00 C ATOM 1051 CE1 PHE A 69 10.425 -3.128 -5.334 1.00 0.00 C ATOM 1052 CE2 PHE A 69 10.968 -1.763 -3.448 1.00 0.00 C ATOM 1053 CZ PHE A 69 11.350 -2.672 -4.415 1.00 0.00 C ATOM 0 H PHE A 69 4.996 -0.612 -3.650 1.00 0.00 H new ATOM 0 HA PHE A 69 6.287 -3.142 -4.005 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.931 -1.160 -5.285 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.292 -0.276 -3.816 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.403 -3.032 -6.007 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.370 -0.599 -2.645 1.00 0.00 H new ATOM 0 HE1 PHE A 69 10.721 -3.840 -6.090 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.689 -1.406 -2.727 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.370 -3.026 -4.453 1.00 0.00 H new ATOM 1063 N LYS A 70 6.940 -1.407 -1.260 1.00 0.00 N ATOM 1064 CA LYS A 70 7.455 -1.517 0.100 1.00 0.00 C ATOM 1065 C LYS A 70 6.714 -2.602 0.876 1.00 0.00 C ATOM 1066 O LYS A 70 7.278 -3.238 1.766 1.00 0.00 O ATOM 1067 CB LYS A 70 7.325 -0.177 0.827 1.00 0.00 C ATOM 1068 CG LYS A 70 8.293 -0.017 1.986 1.00 0.00 C ATOM 1069 CD LYS A 70 9.736 -0.003 1.509 1.00 0.00 C ATOM 1070 CE LYS A 70 10.571 -1.050 2.230 1.00 0.00 C ATOM 1071 NZ LYS A 70 11.799 -1.403 1.465 1.00 0.00 N ATOM 0 H LYS A 70 6.591 -0.480 -1.505 1.00 0.00 H new ATOM 0 HA LYS A 70 8.508 -1.791 0.042 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.489 0.631 0.114 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.306 -0.072 1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.076 0.909 2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.151 -0.833 2.695 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.767 -0.187 0.435 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.166 0.985 1.675 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.851 -0.676 3.215 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.972 -1.946 2.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.099 -2.367 1.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.598 -1.357 0.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.558 -0.732 1.699 1.00 0.00 H new ATOM 1085 N LYS A 71 5.448 -2.810 0.531 1.00 0.00 N ATOM 1086 CA LYS A 71 4.630 -3.819 1.192 1.00 0.00 C ATOM 1087 C LYS A 71 5.117 -5.224 0.851 1.00 0.00 C ATOM 1088 O LYS A 71 5.089 -6.121 1.692 1.00 0.00 O ATOM 1089 CB LYS A 71 3.163 -3.664 0.785 1.00 0.00 C ATOM 1090 CG LYS A 71 2.207 -4.495 1.623 1.00 0.00 C ATOM 1091 CD LYS A 71 0.893 -3.769 1.855 1.00 0.00 C ATOM 1092 CE LYS A 71 0.041 -3.741 0.595 1.00 0.00 C ATOM 1093 NZ LYS A 71 -1.048 -4.756 0.640 1.00 0.00 N ATOM 0 H LYS A 71 4.966 -2.292 -0.204 1.00 0.00 H new ATOM 0 HA LYS A 71 4.719 -3.674 2.269 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.882 -2.614 0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.054 -3.946 -0.262 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.016 -5.445 1.124 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.670 -4.727 2.582 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.342 -4.260 2.657 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.093 -2.749 2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.392 -2.748 0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.672 -3.924 -0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.606 -4.705 -0.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.634 -5.706 0.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.665 -4.567 1.455 1.00 0.00 H new ATOM 1107 N GLN A 72 5.564 -5.405 -0.388 1.00 0.00 N ATOM 1108 CA GLN A 72 6.058 -6.701 -0.839 1.00 0.00 C ATOM 1109 C GLN A 72 7.347 -7.074 -0.114 1.00 0.00 C ATOM 1110 O GLN A 72 7.644 -8.254 0.078 1.00 0.00 O ATOM 1111 CB GLN A 72 6.297 -6.681 -2.350 1.00 0.00 C ATOM 1112 CG GLN A 72 5.409 -7.647 -3.118 1.00 0.00 C ATOM 1113 CD GLN A 72 5.567 -9.081 -2.654 1.00 0.00 C ATOM 1114 OE1 GLN A 72 6.566 -9.736 -2.953 1.00 0.00 O ATOM 1115 NE2 GLN A 72 4.579 -9.578 -1.918 1.00 0.00 N ATOM 0 H GLN A 72 5.594 -4.672 -1.096 1.00 0.00 H new ATOM 0 HA GLN A 72 5.302 -7.451 -0.607 1.00 0.00 H new ATOM 0 HB2 GLN A 72 6.129 -5.671 -2.723 1.00 0.00 H new ATOM 0 HB3 GLN A 72 7.341 -6.924 -2.548 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.368 -7.345 -3.005 1.00 0.00 H new ATOM 0 HG3 GLN A 72 5.645 -7.585 -4.180 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.769 -9.000 -1.694 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.630 -10.538 -1.577 1.00 0.00 H new ATOM 1124 N PHE A 73 8.109 -6.062 0.287 1.00 0.00 N ATOM 1125 CA PHE A 73 9.367 -6.284 0.991 1.00 0.00 C ATOM 1126 C PHE A 73 9.117 -6.839 2.390 1.00 0.00 C ATOM 1127 O PHE A 73 9.612 -7.909 2.744 1.00 0.00 O ATOM 1128 CB PHE A 73 10.163 -4.980 1.081 1.00 0.00 C ATOM 1129 CG PHE A 73 11.431 -5.106 1.876 1.00 0.00 C ATOM 1130 CD1 PHE A 73 12.394 -6.039 1.527 1.00 0.00 C ATOM 1131 CD2 PHE A 73 11.660 -4.290 2.973 1.00 0.00 C ATOM 1132 CE1 PHE A 73 13.561 -6.157 2.258 1.00 0.00 C ATOM 1133 CE2 PHE A 73 12.825 -4.403 3.707 1.00 0.00 C ATOM 1134 CZ PHE A 73 13.778 -5.337 3.349 1.00 0.00 C ATOM 0 H PHE A 73 7.878 -5.080 0.137 1.00 0.00 H new ATOM 0 HA PHE A 73 9.946 -7.016 0.427 1.00 0.00 H new ATOM 0 HB2 PHE A 73 10.407 -4.642 0.074 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.536 -4.211 1.532 1.00 0.00 H new ATOM 0 HD1 PHE A 73 12.231 -6.681 0.674 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.919 -3.557 3.257 1.00 0.00 H new ATOM 0 HE1 PHE A 73 14.303 -6.890 1.977 1.00 0.00 H new ATOM 0 HE2 PHE A 73 12.991 -3.762 4.560 1.00 0.00 H new ATOM 0 HZ PHE A 73 14.690 -5.426 3.920 1.00 0.00 H new ATOM 1144 N PHE A 74 8.347 -6.102 3.183 1.00 0.00 N ATOM 1145 CA PHE A 74 8.031 -6.518 4.545 1.00 0.00 C ATOM 1146 C PHE A 74 7.261 -7.835 4.547 1.00 0.00 C ATOM 1147 O PHE A 74 7.441 -8.671 5.433 1.00 0.00 O ATOM 1148 CB PHE A 74 7.216 -5.436 5.255 1.00 0.00 C ATOM 1149 CG PHE A 74 8.019 -4.220 5.617 1.00 0.00 C ATOM 1150 CD1 PHE A 74 9.214 -4.343 6.309 1.00 0.00 C ATOM 1151 CD2 PHE A 74 7.580 -2.953 5.266 1.00 0.00 C ATOM 1152 CE1 PHE A 74 9.956 -3.226 6.643 1.00 0.00 C ATOM 1153 CE2 PHE A 74 8.318 -1.833 5.597 1.00 0.00 C ATOM 1154 CZ PHE A 74 9.507 -1.969 6.287 1.00 0.00 C ATOM 0 H PHE A 74 7.930 -5.213 2.906 1.00 0.00 H new ATOM 0 HA PHE A 74 8.969 -6.666 5.080 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.388 -5.136 4.613 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.780 -5.857 6.161 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.569 -5.323 6.590 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.651 -2.840 4.728 1.00 0.00 H new ATOM 0 HE1 PHE A 74 10.886 -3.336 7.182 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.965 -0.851 5.316 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.084 -1.094 6.548 1.00 0.00 H new ATOM 1164 N LEU A 75 6.402 -8.012 3.549 1.00 0.00 N ATOM 1165 CA LEU A 75 5.603 -9.227 3.434 1.00 0.00 C ATOM 1166 C LEU A 75 6.495 -10.451 3.250 1.00 0.00 C ATOM 1167 O LEU A 75 6.494 -11.361 4.078 1.00 0.00 O ATOM 1168 CB LEU A 75 4.628 -9.111 2.261 1.00 0.00 C ATOM 1169 CG LEU A 75 3.281 -8.457 2.570 1.00 0.00 C ATOM 1170 CD1 LEU A 75 2.561 -8.085 1.283 1.00 0.00 C ATOM 1171 CD2 LEU A 75 2.420 -9.383 3.416 1.00 0.00 C ATOM 0 H LEU A 75 6.241 -7.330 2.808 1.00 0.00 H new ATOM 0 HA LEU A 75 5.037 -9.349 4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.112 -8.542 1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.442 -10.111 1.869 1.00 0.00 H new ATOM 0 HG LEU A 75 3.463 -7.544 3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.604 -7.621 1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.172 -7.384 0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.390 -8.983 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.465 -8.901 3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.246 -10.313 2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.931 -9.599 4.354 1.00 0.00 H new ATOM 1183 N GLN A 76 7.256 -10.463 2.160 1.00 0.00 N ATOM 1184 CA GLN A 76 8.154 -11.574 1.869 1.00 0.00 C ATOM 1185 C GLN A 76 9.116 -11.815 3.028 1.00 0.00 C ATOM 1186 O GLN A 76 9.528 -12.947 3.282 1.00 0.00 O ATOM 1187 CB GLN A 76 8.941 -11.299 0.586 1.00 0.00 C ATOM 1188 CG GLN A 76 8.063 -11.150 -0.646 1.00 0.00 C ATOM 1189 CD GLN A 76 7.763 -12.477 -1.313 1.00 0.00 C ATOM 1190 OE1 GLN A 76 8.674 -13.200 -1.720 1.00 0.00 O ATOM 1191 NE2 GLN A 76 6.482 -12.806 -1.430 1.00 0.00 N ATOM 0 H GLN A 76 7.268 -9.717 1.465 1.00 0.00 H new ATOM 0 HA GLN A 76 7.549 -12.470 1.731 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.527 -10.389 0.717 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.648 -12.112 0.422 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.126 -10.670 -0.364 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.556 -10.492 -1.361 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.760 -12.177 -1.079 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.220 -13.688 -1.871 1.00 0.00 H new ATOM 1200 N LYS A 77 9.471 -10.743 3.728 1.00 0.00 N ATOM 1201 CA LYS A 77 10.384 -10.836 4.861 1.00 0.00 C ATOM 1202 C LYS A 77 9.657 -10.546 6.170 1.00 0.00 C ATOM 1203 O LYS A 77 9.681 -9.420 6.666 1.00 0.00 O ATOM 1204 CB LYS A 77 11.549 -9.860 4.685 1.00 0.00 C ATOM 1205 CG LYS A 77 12.709 -10.435 3.890 1.00 0.00 C ATOM 1206 CD LYS A 77 13.040 -9.573 2.684 1.00 0.00 C ATOM 1207 CE LYS A 77 13.856 -10.342 1.656 1.00 0.00 C ATOM 1208 NZ LYS A 77 13.000 -11.231 0.822 1.00 0.00 N ATOM 0 H LYS A 77 9.140 -9.799 3.530 1.00 0.00 H new ATOM 0 HA LYS A 77 10.773 -11.853 4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.187 -8.961 4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.909 -9.555 5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.586 -10.516 4.532 1.00 0.00 H new ATOM 0 HG3 LYS A 77 12.461 -11.444 3.560 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.117 -9.217 2.225 1.00 0.00 H new ATOM 0 HD3 LYS A 77 13.596 -8.692 3.006 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.385 -9.639 1.013 1.00 0.00 H new ATOM 0 HE3 LYS A 77 14.612 -10.939 2.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 13.593 -11.738 0.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.514 -11.918 1.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.294 -10.659 0.316 1.00 0.00 H new ATOM 1222 N GLU A 78 9.015 -11.569 6.725 1.00 0.00 N ATOM 1223 CA GLU A 78 8.283 -11.422 7.977 1.00 0.00 C ATOM 1224 C GLU A 78 9.049 -12.059 9.134 1.00 0.00 C ATOM 1225 O GLU A 78 8.454 -12.522 10.106 1.00 0.00 O ATOM 1226 CB GLU A 78 6.895 -12.055 7.860 1.00 0.00 C ATOM 1227 CG GLU A 78 6.929 -13.557 7.630 1.00 0.00 C ATOM 1228 CD GLU A 78 6.558 -13.938 6.210 1.00 0.00 C ATOM 1229 OE1 GLU A 78 5.348 -13.959 5.899 1.00 0.00 O ATOM 1230 OE2 GLU A 78 7.475 -14.216 5.411 1.00 0.00 O ATOM 0 H GLU A 78 8.987 -12.508 6.327 1.00 0.00 H new ATOM 0 HA GLU A 78 8.172 -10.357 8.180 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.332 -11.848 8.770 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.357 -11.582 7.038 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.927 -13.933 7.854 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.243 -14.043 8.324 1.00 0.00 H new ATOM 1237 N GLY A 79 10.373 -12.078 9.019 1.00 0.00 N ATOM 1238 CA GLY A 79 11.200 -12.660 10.060 1.00 0.00 C ATOM 1239 C GLY A 79 11.769 -11.616 11.000 1.00 0.00 C ATOM 1240 O GLY A 79 12.323 -10.610 10.560 1.00 0.00 O ATOM 0 H GLY A 79 10.888 -11.701 8.223 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.609 -13.376 10.632 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.018 -13.216 9.602 1.00 0.00 H new ATOM 1244 N GLY A 80 11.631 -11.855 12.301 1.00 0.00 N ATOM 1245 CA GLY A 80 12.140 -10.918 13.285 1.00 0.00 C ATOM 1246 C GLY A 80 11.787 -11.318 14.704 1.00 0.00 C ATOM 1247 O GLY A 80 11.087 -10.589 15.407 1.00 0.00 O ATOM 0 H GLY A 80 11.176 -12.681 12.691 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.224 -10.848 13.189 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.738 -9.926 13.080 1.00 0.00 H new ATOM 1251 N ASP A 81 12.271 -12.481 15.126 1.00 0.00 N ATOM 1252 CA ASP A 81 12.003 -12.979 16.470 1.00 0.00 C ATOM 1253 C ASP A 81 10.504 -13.000 16.753 1.00 0.00 C ATOM 1254 O ASP A 81 10.045 -12.461 17.760 1.00 0.00 O ATOM 1255 CB ASP A 81 12.719 -12.114 17.509 1.00 0.00 C ATOM 1256 CG ASP A 81 12.685 -12.728 18.895 1.00 0.00 C ATOM 1257 OD1 ASP A 81 12.335 -13.921 19.007 1.00 0.00 O ATOM 1258 OD2 ASP A 81 13.009 -12.015 19.868 1.00 0.00 O ATOM 0 H ASP A 81 12.851 -13.097 14.556 1.00 0.00 H new ATOM 0 HA ASP A 81 12.381 -13.999 16.535 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.755 -11.968 17.204 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.254 -11.128 17.540 1.00 0.00 H new ATOM 1263 N SER A 82 9.747 -13.624 15.857 1.00 0.00 N ATOM 1264 CA SER A 82 8.299 -13.711 16.007 1.00 0.00 C ATOM 1265 C SER A 82 7.839 -15.166 16.010 1.00 0.00 C ATOM 1266 O SER A 82 8.520 -16.044 15.481 1.00 0.00 O ATOM 1267 CB SER A 82 7.601 -12.946 14.881 1.00 0.00 C ATOM 1268 OG SER A 82 6.290 -12.565 15.259 1.00 0.00 O ATOM 0 H SER A 82 10.112 -14.077 15.019 1.00 0.00 H new ATOM 0 HA SER A 82 8.030 -13.261 16.963 1.00 0.00 H new ATOM 0 HB2 SER A 82 8.181 -12.059 14.626 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.559 -13.568 13.987 1.00 0.00 H new ATOM 0 HG SER A 82 5.866 -12.076 14.523 1.00 0.00 H new ATOM 1274 N MET A 83 6.679 -15.412 16.610 1.00 0.00 N ATOM 1275 CA MET A 83 6.127 -16.760 16.681 1.00 0.00 C ATOM 1276 C MET A 83 4.736 -16.811 16.057 1.00 0.00 C ATOM 1277 O MET A 83 3.823 -16.115 16.498 1.00 0.00 O ATOM 1278 CB MET A 83 6.064 -17.232 18.135 1.00 0.00 C ATOM 1279 CG MET A 83 5.285 -16.297 19.044 1.00 0.00 C ATOM 1280 SD MET A 83 6.307 -15.584 20.348 1.00 0.00 S ATOM 1281 CE MET A 83 6.351 -13.866 19.842 1.00 0.00 C ATOM 0 H MET A 83 6.103 -14.696 17.054 1.00 0.00 H new ATOM 0 HA MET A 83 6.783 -17.425 16.119 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.607 -18.221 18.168 1.00 0.00 H new ATOM 0 HB3 MET A 83 7.079 -17.337 18.519 1.00 0.00 H new ATOM 0 HG2 MET A 83 4.852 -15.494 18.447 1.00 0.00 H new ATOM 0 HG3 MET A 83 4.456 -16.842 19.495 1.00 0.00 H new ATOM 0 HE1 MET A 83 6.760 -13.259 20.650 1.00 0.00 H new ATOM 0 HE2 MET A 83 6.979 -13.763 18.957 1.00 0.00 H new ATOM 0 HE3 MET A 83 5.341 -13.529 19.611 1.00 0.00 H new ATOM 1291 N GLN A 84 4.584 -17.640 15.029 1.00 0.00 N ATOM 1292 CA GLN A 84 3.304 -17.780 14.344 1.00 0.00 C ATOM 1293 C GLN A 84 3.091 -19.216 13.876 1.00 0.00 C ATOM 1294 O GLN A 84 3.326 -19.541 12.713 1.00 0.00 O ATOM 1295 CB GLN A 84 3.232 -16.826 13.151 1.00 0.00 C ATOM 1296 CG GLN A 84 2.605 -15.482 13.483 1.00 0.00 C ATOM 1297 CD GLN A 84 1.949 -14.831 12.281 1.00 0.00 C ATOM 1298 OE1 GLN A 84 0.724 -14.754 12.194 1.00 0.00 O ATOM 1299 NE2 GLN A 84 2.765 -14.358 11.346 1.00 0.00 N ATOM 0 H GLN A 84 5.330 -18.224 14.652 1.00 0.00 H new ATOM 0 HA GLN A 84 2.513 -17.526 15.050 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.239 -16.663 12.766 1.00 0.00 H new ATOM 0 HB3 GLN A 84 2.658 -17.298 12.353 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.862 -15.616 14.269 1.00 0.00 H new ATOM 0 HG3 GLN A 84 3.371 -14.816 13.879 1.00 0.00 H new ATOM 0 HE21 GLN A 84 3.775 -14.444 11.460 1.00 0.00 H new ATOM 0 HE22 GLN A 84 2.382 -13.909 10.514 1.00 0.00 H new ATOM 1308 N ALA A 85 2.646 -20.072 14.790 1.00 0.00 N ATOM 1309 CA ALA A 85 2.400 -21.472 14.470 1.00 0.00 C ATOM 1310 C ALA A 85 1.030 -21.918 14.970 1.00 0.00 C ATOM 1311 O ALA A 85 0.814 -22.065 16.173 1.00 0.00 O ATOM 1312 CB ALA A 85 3.492 -22.349 15.066 1.00 0.00 C ATOM 0 H ALA A 85 2.449 -19.820 15.758 1.00 0.00 H new ATOM 0 HA ALA A 85 2.414 -21.579 13.385 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.296 -23.392 14.819 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.459 -22.055 14.657 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.505 -22.229 16.149 1.00 0.00 H new ATOM 1318 N VAL A 86 0.106 -22.129 14.038 1.00 0.00 N ATOM 1319 CA VAL A 86 -1.244 -22.558 14.384 1.00 0.00 C ATOM 1320 C VAL A 86 -1.217 -23.803 15.263 1.00 0.00 C ATOM 1321 O VAL A 86 -0.277 -24.596 15.206 1.00 0.00 O ATOM 1322 CB VAL A 86 -2.080 -22.851 13.124 1.00 0.00 C ATOM 1323 CG1 VAL A 86 -2.280 -21.582 12.309 1.00 0.00 C ATOM 1324 CG2 VAL A 86 -1.419 -23.935 12.286 1.00 0.00 C ATOM 0 H VAL A 86 0.268 -22.010 13.038 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.705 -21.738 14.935 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.060 -23.212 13.435 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.873 -21.808 11.423 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.801 -20.839 12.914 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.310 -21.188 12.006 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.023 -24.129 11.400 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.425 -23.605 11.982 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.334 -24.849 12.874 1.00 0.00 H new ATOM 1334 N SER A 87 -2.255 -23.970 16.076 1.00 0.00 N ATOM 1335 CA SER A 87 -2.349 -25.117 16.971 1.00 0.00 C ATOM 1336 C SER A 87 -3.799 -25.565 17.129 1.00 0.00 C ATOM 1337 O SER A 87 -4.728 -24.790 16.904 1.00 0.00 O ATOM 1338 CB SER A 87 -1.758 -24.774 18.340 1.00 0.00 C ATOM 1339 OG SER A 87 -0.347 -24.660 18.271 1.00 0.00 O ATOM 0 H SER A 87 -3.043 -23.325 16.133 1.00 0.00 H new ATOM 0 HA SER A 87 -1.779 -25.936 16.532 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.185 -23.838 18.700 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.029 -25.546 19.061 1.00 0.00 H new ATOM 0 HG SER A 87 0.007 -24.439 19.158 1.00 0.00 H new ATOM 1345 N ALA A 88 -3.984 -26.823 17.518 1.00 0.00 N ATOM 1346 CA ALA A 88 -5.320 -27.375 17.708 1.00 0.00 C ATOM 1347 C ALA A 88 -6.092 -26.591 18.764 1.00 0.00 C ATOM 1348 O ALA A 88 -5.515 -25.921 19.620 1.00 0.00 O ATOM 1349 CB ALA A 88 -5.233 -28.844 18.096 1.00 0.00 C ATOM 0 H ALA A 88 -3.226 -27.478 17.708 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.860 -27.291 16.765 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.237 -29.244 18.235 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.727 -29.400 17.306 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.672 -28.942 19.025 1.00 0.00 H new ATOM 1355 N PRO A 89 -7.429 -26.676 18.704 1.00 0.00 N ATOM 1356 CA PRO A 89 -8.310 -25.981 19.648 1.00 0.00 C ATOM 1357 C PRO A 89 -8.237 -26.572 21.052 1.00 0.00 C ATOM 1358 O PRO A 89 -7.604 -27.605 21.267 1.00 0.00 O ATOM 1359 CB PRO A 89 -9.704 -26.188 19.052 1.00 0.00 C ATOM 1360 CG PRO A 89 -9.590 -27.437 18.247 1.00 0.00 C ATOM 1361 CD PRO A 89 -8.185 -27.457 17.711 1.00 0.00 C ATOM 0 HA PRO A 89 -8.034 -24.933 19.766 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -10.458 -26.288 19.833 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -9.999 -25.342 18.431 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.786 -28.316 18.861 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -10.318 -27.446 17.435 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -7.803 -28.474 17.624 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -8.127 -27.009 16.719 1.00 0.00 H new ATOM 1369 N GLU A 90 -8.890 -25.911 22.003 1.00 0.00 N ATOM 1370 CA GLU A 90 -8.898 -26.373 23.386 1.00 0.00 C ATOM 1371 C GLU A 90 -7.477 -26.487 23.929 1.00 0.00 C ATOM 1372 O GLU A 90 -7.245 -26.321 25.126 1.00 0.00 O ATOM 1373 CB GLU A 90 -9.606 -27.725 23.491 1.00 0.00 C ATOM 1374 CG GLU A 90 -11.110 -27.612 23.679 1.00 0.00 C ATOM 1375 CD GLU A 90 -11.759 -28.943 24.006 1.00 0.00 C ATOM 1376 OE1 GLU A 90 -11.643 -29.391 25.165 1.00 0.00 O ATOM 1377 OE2 GLU A 90 -12.383 -29.536 23.101 1.00 0.00 O ATOM 0 H GLU A 90 -9.420 -25.055 21.841 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.440 -25.640 23.984 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.404 -28.303 22.589 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.185 -28.282 24.328 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.320 -26.903 24.480 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -11.557 -27.208 22.771 1.00 0.00 H new TER 1384 GLU A 90